AA-CW236

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525591

CAS#: 1869921-96-9

Description: AA-CW236 is a novel non-pseudosubstrate inhibitor of human O(6)-alkylguanine DNA methyltransferase (MGMT) by targeting MGMT active site Cys145 for covalent modification.


Price and Availability

Size
Price

Size
Price

Size
Price

AA-CW236 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

img

Theoretical Analysis

MedKoo Cat#: 525591
Name: AA-CW236
CAS#: 1869921-96-9
Chemical Formula: C17H16ClF3N4O2
Exact Mass: 400.0914
Molecular Weight: 400.7862
Elemental Analysis: C, 50.95; H, 4.02; Cl, 8.85; F, 14.22; N, 13.98; O, 7.98


Synonym: AA-CW236

IUPAC/Chemical Name: 4-(2-(5-(Chloromethyl)-4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-1-yl)ethyl)-3,5-dimethylisoxazole

InChi Key: MPDMMSRZEHOFPA-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H16ClF3N4O2/c1-10-14(11(2)27-23-10)7-8-25-15(9-18)16(22-24-25)12-3-5-13(6-4-12)26-17(19,20)21/h3-6H,7-9H2,1-2H3

SMILES Code: CC1=C(CCN2N=NC(C3=CC=C(OC(F)(F)F)C=C3)=C2CCl)C(C)=NO1


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:
293490


References

1: Wang C, Abegg D, Hoch DG, Adibekian A. Chemoproteomics-Enabled Discovery of a Potent and Selective Inhibitor of the DNA Repair Protein MGMT. Angew Chem Int Ed Engl. 2016 Feb 18;55(8):2911-5. doi: 10.1002/anie.201511301. Epub 2016 Jan 22. PubMed PMID: 26798972.